N-tert-butyl-6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

C17H22N2S — CID 63472248

IUPACN-tert-butyl-6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESCC(C)(C)Nc1nc2c(s1)CC(c1ccccc1)CC2
InChIInChI=1S/C17H22N2S/c1-17(2,3)19-16-18-14-10-9-13(11-15(14)20-16)12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,19)
InChIKeyFJMCDNDFNPXRTE-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.63
Rot. Bonds2

About N-tert-butyl-6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

N-tert-butyl-6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (PubChem CID 63472248) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is N-tert-butyl-6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-tert-butyl-6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
PubChem CID63472248
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC NameN-tert-butyl-6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESCC(C)(C)Nc1nc2c(s1)CC(c1ccccc1)CC2
InChIInChI=1S/C17H22N2S/c1-17(2,3)19-16-18-14-10-9-13(11-15(14)20-16)12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,19)
InChIKeyFJMCDNDFNPXRTE-UHFFFAOYSA-N
XLogP4.63
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The IUPAC name of N-tert-butyl-6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (CID 63472248) is N-tert-butyl-6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-tert-butyl-6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The canonical SMILES for N-tert-butyl-6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is CC(C)(C)Nc1nc2c(s1)CC(c1ccccc1)CC2.
What is the InChIKey of N-tert-butyl-6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The InChIKey is FJMCDNDFNPXRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-17(2,3)19-16-18-14-10-9-13(11-15(14)20-16)12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,19).
What are the key properties of N-tert-butyl-6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
N-tert-butyl-6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine has a molecular weight of 286.44 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 63472248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).